Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479848

SCHEMBL4479848

SCHEMBL4479848

CN(C)c1cccc(COS(C)(=O)=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.36
▸ IDO1 P14902 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ EDNRA P25101 6/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4940352 0.80 IDO1 (0.55) IDO1CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL16396129 0.78 IDO1 (0.36) IDO1CA2CYP1A2CYP2C19NR3C1
SCHEMBL5273095 0.73 CYP1A2 (0.41) IDO1CA2CYP1A2CYP2C19HTT
SCHEMBL10962586 0.73 IDO1 (0.52) IDO1MAPTALDH1A1LMNAMAPK1
SCHEMBL4487257 0.72 PNMT (0.54) HTR6IDO1CA2P2RX7MAPT
SCHEMBL4468365 0.71 GAA (0.39) CA2TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL17196886 0.70 KMT2A (0.37) NR3C1ALDH1A1
SCHEMBL17072001 0.69 — —
SCHEMBL17709779 0.69 — —
SCHEMBL3786708 0.69 GAA (0.52) HTR6CA2EDNRATDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 — — EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH HTR6 3988/4885IDO1 2587/4885CA2 1921/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH HTR6 3988/4885IDO1 2587/4885CA2 1921/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.